Cas no 165743-61-3 (Ethanone,1-(1,5-diethyl-1H-pyrazol-3-yl)-)
165743-61-3 structure
Product Name:Ethanone,1-(1,5-diethyl-1H-pyrazol-3-yl)-
CAS No:165743-61-3
MF:C9H14N2O
MW:166.220262050629
CID:110688
PubChem ID:22145407
Update Time:2025-04-18
Ethanone,1-(1,5-diethyl-1H-pyrazol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(1,5-diethyl-1H-pyrazol-3-yl)-
- Ethanone, 1-(1,5-diethyl-1H-pyrazol-3-yl)- (9CI)
- 1-(1,5-DIETHYLPYRAZOL-3-YL)ETHANONE
- 165743-61-3
- SCHEMBL6077710
- CVSVOYOSJSDAGG-UHFFFAOYSA-N
- 1-(1,5-Diethyl-1H-pyrazol-3-yl)ethanone
- DTXSID301277695
- 3-Acetyl-1,5-diethylpyrazole
-
- Inchi： 1S/C9H14N2O/c1-4-8-6-9(7(3)12)10-11(8)5-2/h6H,4-5H2,1-3H3
- InChI Key： CVSVOYOSJSDAGG-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=C(CC)N(CC)N=1
Computed Properties
- Exact Mass: 166.11072
- Monoisotopic Mass: 166.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
Ethanone,1-(1,5-diethyl-1H-pyrazol-3-yl)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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